SCHEMBL2076216

SCHEMBL2076216

Cc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(S(C)(=O)=O)CC4)cc3)n2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 1.00
AURKA O14965 11/20 1.00
CDK9 P50750 11/20 1.00
AURKB Q96GD4 10/20 1.00
CCNE1 P24864 4/20 0.76
CDK4 P11802 12/20 0.73
CDK7 P50613 8/20 0.73
CDK1 P06493 8/20 0.73
KCNH2 Q12809 1/20 0.61
WEE1 P30291 4/20 0.60
FLT3 P36888 3/20 0.60
ALK Q9UM73 3/20 0.60
CHEK1 O14757 2/20 0.60
DAPK3 O43293 2/20 0.60
JAK2 O60674 2/20 0.60
PRKD3 O94806 2/20 0.60
PAK4 O96013 2/20 0.60
ABL1 P00519 2/20 0.60
FYN P06241 2/20 0.60
CSF1R P07333 2/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2075987 0.87 CDK2 (1.00) CDK2AURKACDK9AURKBCCNE1
SCHEMBL4165439 0.87 CDK2 (0.84) CDK2AURKACDK9AURKBCCNE1
SCHEMBL4163444 0.86 CDK2 (0.82) CDK2AURKACDK9AURKBCCNE1
SCHEMBL4166333 0.85 CDK2 (0.80) CDK2AURKACDK9AURKBCCNE1
SCHEMBL2074623 0.85 CDK2 (0.81) CDK2AURKACDK9AURKBCCNE1
SCHEMBL2073867 0.85 CDK2 (1.00) CDK2AURKACDK9AURKBCCNE1
SCHEMBL2073428 0.84 CDK2 (1.00) CDK2AURKACDK9AURKBCCNE1
SCHEMBL27664900 0.84 CDK2 (0.85) CDK2AURKACDK9AURKBCCNE1
SCHEMBL6209137 0.83 CDK2 (0.74) CDK2AURKACDK9AURKBCCNE1
SCHEMBL5240801 0.82 CDK2 (0.76) CDK2AURKACDK9AURKBCCNE1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432260-B2 Pyrimidine compounds CYCLACEL LIMTED (GB) 2008-10-07 US claimed
EP-1864983-A1 PYRIMIDINE COMPOUNDS AS CYCLIN-DEPENDENT KINASE INHIBITORS Cyclacel Limited (GB) 2007-12-12 EP claimed
EP-1567522-B1 PYRIMIDINE COMPOUNDS CYCLACEL LTD (GB) 2007-09-19 EP claimed
US-20050192300-A1 Pyrimidine compounds CYCLACEL LIMITED (GB) 2005-09-01 US claimed
US-7897605-B2 Pyrimidine compounds CYCLACEL LIMITED (GB) 2011-03-01 US disclosed
US-7897605-B2 Pyrimidine compounds CYCLACEL LIMITED (GB) 2011-03-01 US disclosed
US-7897605-B2 Pyrimidine compounds CYCLACEL LIMITED (GB) 2011-03-01 US disclosed
US-20080287439-A1 Pyrimidine compounds CYCLACEL LIMITED (GB) 2008-11-20 US disclosed
US-20080287439-A1 Pyrimidine compounds CYCLACEL LIMITED (GB) 2008-11-20 US disclosed
US-20080287439-A1 Pyrimidine compounds CYCLACEL LIMITED (GB) 2008-11-20 US disclosed
US-7432260-B2 Pyrimidine compounds CYCLACEL LIMTED (GB) 2008-10-07 US disclosed
US-7432260-B2 Pyrimidine compounds CYCLACEL LIMTED (GB) 2008-10-07 US disclosed
US-7432260-B2 Pyrimidine compounds CYCLACEL LIMTED (GB) 2008-10-07 US disclosed
EP-1864983-A1 PYRIMIDINE COMPOUNDS AS CYCLIN-DEPENDENT KINASE INHIBITORS Cyclacel Limited (GB) 2007-12-12 EP disclosed
EP-1567522-B1 PYRIMIDINE COMPOUNDS CYCLACEL LTD (GB) 2007-09-19 EP disclosed
EP-1567522-B1 PYRIMIDINE COMPOUNDS CYCLACEL LTD (GB) 2007-09-19 EP disclosed
US-20050192300-A1 Pyrimidine compounds CYCLACEL LIMITED (GB) 2005-09-01 US disclosed
EP-1567522-A1 PYRIMIDINE COMPOUNDS Cyclacel Limited (GB) 2005-08-31 EP disclosed
WO-2004043953-A1 PYRIMIDINE COMPOUNDS CYCLACEL LIMITED (GB) 2004-05-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080287439-A1 Pyrimidine compounds CDK2, CCNI, CDK6 CDK2 1/4885AURKA 123/4885CDK9 5/4885
US-20050192300-A1 Pyrimidine compounds CDK2, CCNI, CDK6 CDK2 1/4885AURKA 123/4885CDK9 5/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.